Home Nitro Compounds 71608-10-1
71608-10-1,MFCD12198862
Catalog No.:AA003INW
71608-10-1 | 3,6-Dimethyl-2-nitrophenol
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1g
95%
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$208.00   $145.00
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5g
95%
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$921.00   $645.00
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Technical Information
Catalog Number:
AA003INW
Chemical Name:
3,6-Dimethyl-2-nitrophenol
CAS Number:
71608-10-1
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD12198862
IUPAC Name:
3,6-dimethyl-2-nitrophenol
InChI:
InChI=1S/C8H9NO3/c1-5-3-4-6(2)8(10)7(5)9(11)12/h3-4,10H,1-2H3
InChI Key:
VIQHHRZADKSPIM-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1O)[N+](=O)[O-])C
UNII:
9T0HKQ8H5N
NSC Number:
89793
Properties
Computed Properties
 
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
3,6-Dimethyl-2-nitrophenol 
71608-10-1 
2,5-Xylenol, 6-nitro- 
NCIOpen2_001457 
3,6-dimethyl-2-nitro-phenol 
SCHEMBL9559517 
Phenol,3,6-dimethyl-2-nitro- 
CTK5D4721 
DTXSID00293475 
Phenol, 2,5-dimethyl-6-nitro- 
VIQHHRZADKSPIM-UHFFFAOYSA-N 
ANW-71472 
2,5-dimethyl-6-nitrophenol 
KM1417 
MFCD12198862 
ZINC31666762 
AKOS015888221 
AC-7291 
AN-9173 
FCH1155018 
TRA0050847 
KS-0000099A 
AJ-84294 
Phenol, 3,6-dimethyl-2-nitro- 
AS-31537 
CJ-17811 
SC-27555 
SY005501 
AB0053718 
AX8174276 
DB-013045 
TC-160217 
FT-0736858 
MFCD12198862 (97+%) 
UNII-9T0HKQ8H5N 
I01-10021 
AR-1F0028 
CID259651 
92594-03-1 
9T0HKQ8H5N 
NSC-89793 
NSC89793 
AC1L61JJ 
AC1Q1YD8 
Literature
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